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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL322439
Molecular formula	C29H34N6O6
IUPAC name	(4-nitrophenyl)methyl N-[1-[4-(4-nitroimidazol-1-yl)-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate
Molecular weight	562.627
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	4.7
Synonyms	Allyl-{1-[4-(4-nitro-imidazol-1-yl)-3-phenyl-butyl]-piperidin-4-yl}-carbamic acid, 4-nitro-benzyl ester (4-nitrophenyl)methyl N-allyl-N-[1-[4-(4-nitroimidazol-1-yl)-3-phenyl-butyl]-4-piperidyl]carbamate AC1LA87O BDBM50106942 (4-nitrophenyl)methyl N-[1-[4-(4-nitroimidazol-1-yl)-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate N-Allyl-N-[1-[3-phenyl-4-(4-nitro-1H-imidazole-1-yl)butyl]-4-piperidinyl]carbamic acid 4-nitrobenzyl ester Allyl-{1-[4-(4-nitro-imidazol-1-yl)-3-phenyl-butyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester [ Show all ]
Inchi Key	APUITEDEUGQVAF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H34N6O6/c1-2-15-33(29(36)41-21-23-8-10-27(11-9-23)34(37)38)26-13-17-31(18-14-26)16-12-25(24-6-4-3-5-7-24)19-32-20-28(30-22-32)35(39)40/h2-11,20,22,25-26H,1,12-19,21H2
PubChem CID	483336
ChEMBL	CHEMBL322439
IUPHAR	N/A
BindingDB	50106942
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
11382	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352

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